==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 21-JUN-03 1PSQ . COMPND 2 MOLECULE: PROBABLE THIOL PEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR R.KNIEWEL,J.BUGLINO,V.SOLORZANO,J.WU,C.D.LIMA,S.K.BURLEY,NEW . 326 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13571.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 212 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 16.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 24 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 67 20.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 1 1 0 0 0 2 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 6 2 2 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A X 0 0 154 0, 0.0 9,-0.1 0, 0.0 144,-0.0 0.000 360.0 360.0 360.0 -75.2 -7.1 7.0 -35.8 2 2 A V - 0 0 17 7,-0.4 7,-2.3 6,-0.1 2,-0.3 -0.327 360.0-144.6 -59.7 150.8 -3.8 8.7 -34.9 3 3 A T B +Ab 8 146A 35 142,-3.6 144,-1.9 5,-0.3 2,-0.3 -0.927 22.8 179.0-127.1 148.8 -0.9 6.4 -36.0 4 4 A F S S- 0 0 9 3,-2.9 3,-0.5 -2,-0.3 142,-0.0 -0.920 75.0 -5.5-149.8 122.8 2.5 5.6 -34.5 5 5 A L S S- 0 0 72 -2,-0.3 -1,-0.1 1,-0.2 141,-0.0 0.901 132.4 -51.5 61.6 43.7 5.1 3.2 -35.9 6 6 A G S S+ 0 0 62 1,-0.2 -1,-0.2 -3,-0.0 140,-0.0 0.682 122.0 96.2 70.0 18.0 2.6 2.1 -38.6 7 7 A N S S- 0 0 107 -3,-0.5 -3,-2.9 0, 0.0 -1,-0.2 -0.997 78.0-107.0-143.2 141.4 -0.2 1.4 -36.1 8 8 A P B -A 3 0A 88 0, 0.0 2,-0.3 0, 0.0 -5,-0.3 -0.385 36.9-164.6 -65.7 136.8 -3.2 3.2 -34.8 9 9 A V - 0 0 9 -7,-2.3 -7,-0.4 -2,-0.1 2,-0.2 -0.798 1.9-149.3-118.8 160.7 -2.8 4.5 -31.2 10 10 A S - 0 0 49 -2,-0.3 110,-2.4 -9,-0.1 111,-0.4 -0.760 4.6-156.6-126.4 173.1 -5.5 5.7 -28.8 11 11 A F - 0 0 46 -2,-0.2 2,-0.4 108,-0.2 108,-0.1 -0.812 19.1-113.0-139.8 179.9 -5.8 8.1 -25.9 12 12 A T S S- 0 0 91 106,-0.3 106,-0.2 -2,-0.3 2,-0.1 -0.983 72.7 -3.3-127.1 127.2 -7.9 8.7 -22.8 13 13 A G S S- 0 0 66 -2,-0.4 2,-0.3 103,-0.0 -2,-0.1 -0.258 97.0 -50.1 86.9-179.5 -10.3 11.6 -22.3 14 14 A K - 0 0 191 100,-0.1 2,-0.3 -2,-0.1 -2,-0.1 -0.662 49.5-127.9 -95.1 149.0 -10.9 14.6 -24.6 15 15 A Q - 0 0 45 -2,-0.3 101,-0.1 1,-0.1 100,-0.1 -0.739 31.2-101.7 -96.1 141.6 -8.1 16.8 -26.2 16 16 A L - 0 0 21 99,-0.3 2,-0.2 -2,-0.3 -1,-0.1 -0.219 42.6-165.8 -58.5 147.9 -8.2 20.6 -25.9 17 17 A Q > - 0 0 94 1,-0.1 3,-2.1 4,-0.0 121,-0.3 -0.794 37.5 -59.7-130.1 172.7 -9.4 22.4 -29.0 18 18 A V T 3 S+ 0 0 85 1,-0.3 121,-0.2 -2,-0.2 3,-0.1 -0.325 126.1 26.8 -55.2 129.4 -9.3 25.9 -30.4 19 19 A G T 3 S+ 0 0 44 119,-3.4 -1,-0.3 1,-0.5 120,-0.1 -0.116 96.8 110.0 107.8 -36.0 -11.2 28.1 -27.9 20 20 A D S < S- 0 0 71 -3,-2.1 118,-2.9 118,-0.1 -1,-0.5 -0.285 74.4-108.2 -69.5 159.8 -10.5 25.9 -24.8 21 21 A K B -C 137 0B 110 116,-0.2 116,-0.2 -3,-0.1 2,-0.2 -0.743 34.1-108.3 -94.2 135.5 -8.1 27.1 -22.1 22 22 A A - 0 0 7 114,-3.1 2,-0.2 -2,-0.4 -1,-0.1 -0.417 36.0-118.7 -62.8 128.7 -4.7 25.4 -21.9 23 23 A L - 0 0 67 -2,-0.2 -1,-0.1 1,-0.1 92,-0.1 -0.448 27.7-115.4 -71.0 139.2 -4.4 23.2 -18.8 24 24 A D - 0 0 90 -2,-0.2 2,-0.3 12,-0.1 -1,-0.1 -0.141 38.3-175.7 -66.4 169.8 -1.8 24.1 -16.2 25 25 A F - 0 0 10 2,-0.1 12,-0.5 89,-0.0 2,-0.4 -0.975 29.4-136.2-161.0 168.1 1.1 21.8 -15.6 26 26 A S E +D 36 0C 71 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.903 35.6 169.4-136.0 101.3 4.2 21.1 -13.5 27 27 A L E -D 35 0C 2 8,-2.9 8,-3.0 -2,-0.4 2,-0.5 -0.873 34.7-115.8-119.1 151.8 7.1 20.0 -15.6 28 28 A T E -DE 34 104C 4 76,-1.4 76,-1.8 -2,-0.3 6,-0.2 -0.727 31.5-147.5 -87.1 126.0 10.8 19.5 -14.8 29 29 A T > - 0 0 12 4,-4.0 3,-1.6 -2,-0.5 74,-0.1 -0.145 34.8 -86.6 -84.2-177.0 13.1 21.8 -16.7 30 30 A T T 3 S+ 0 0 37 72,-0.4 59,-0.1 1,-0.3 -1,-0.1 0.653 127.8 51.9 -68.1 -15.9 16.6 21.1 -17.9 31 31 A D T 3 S- 0 0 106 2,-0.2 -1,-0.3 58,-0.0 3,-0.1 0.065 121.2-105.7-107.0 23.8 18.2 22.2 -14.6 32 32 A L S < S+ 0 0 30 -3,-1.6 2,-0.2 1,-0.2 -2,-0.1 0.409 82.2 126.7 70.4 -0.5 15.9 19.9 -12.7 33 33 A S - 0 0 46 -5,-0.1 -4,-4.0 1,-0.1 -1,-0.2 -0.531 61.4-109.5 -85.4 156.7 13.8 22.8 -11.4 34 34 A K E -D 28 0C 114 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.548 28.2-164.9 -90.1 152.4 10.0 22.7 -12.0 35 35 A K E -D 27 0C 52 -8,-3.0 -8,-2.9 -2,-0.2 2,-0.3 -0.986 6.4-179.4-134.6 143.9 7.9 24.9 -14.3 36 36 A S E > -D 26 0C 31 -2,-0.3 3,-0.6 -10,-0.2 4,-0.3 -0.801 47.8 -92.2-132.6 175.4 4.2 25.7 -14.5 37 37 A L G > S+ 0 0 11 -12,-0.5 3,-2.2 -2,-0.3 -11,-0.1 0.878 119.9 64.9 -58.3 -37.8 2.0 27.8 -16.8 38 38 A A G > S+ 0 0 55 1,-0.3 3,-3.1 2,-0.2 -1,-0.2 0.889 87.2 67.9 -52.6 -44.8 2.3 30.7 -14.4 39 39 A D G < S+ 0 0 94 -3,-0.6 -1,-0.3 1,-0.3 -2,-0.2 0.641 105.7 45.3 -52.1 -12.1 6.1 31.0 -15.1 40 40 A F G X S+ 0 0 17 -3,-2.2 3,-1.0 -4,-0.3 -1,-0.3 0.207 80.1 136.3-118.8 14.2 5.0 32.1 -18.5 41 41 A D T < + 0 0 91 -3,-3.1 3,-0.1 1,-0.2 94,-0.1 -0.205 65.3 35.9 -59.8 154.5 2.2 34.6 -17.8 42 42 A G T 3 S+ 0 0 51 92,-0.4 2,-0.3 1,-0.3 -1,-0.2 0.602 106.4 93.2 76.5 10.7 2.3 37.8 -19.8 43 43 A K S < S- 0 0 100 -3,-1.0 2,-0.3 91,-0.3 -1,-0.3 -0.937 73.3-126.0-135.1 156.6 3.5 35.8 -22.8 44 44 A K E -f 75 0C 35 30,-3.8 32,-3.2 -2,-0.3 2,-0.4 -0.765 35.5-150.5 -95.5 148.7 2.0 34.1 -25.8 45 45 A K E -fG 76 132C 2 87,-1.6 87,-2.7 -2,-0.3 2,-0.7 -0.954 23.4-155.0-129.7 147.4 3.1 30.5 -26.2 46 46 A V E -fG 77 131C 1 30,-2.4 32,-1.3 -2,-0.4 2,-0.8 -0.939 23.2-157.2-113.9 100.4 3.7 27.9 -28.9 47 47 A L E -fG 78 130C 1 83,-1.5 83,-3.2 -2,-0.7 2,-0.5 -0.751 11.9-173.7 -83.7 111.0 3.3 24.6 -27.1 48 48 A S E -fG 79 129C 0 30,-3.2 32,-2.5 -2,-0.8 2,-0.5 -0.933 2.9-166.5-111.2 121.7 5.2 22.0 -29.1 49 49 A V E +fG 80 128C 0 79,-2.9 79,-1.9 -2,-0.5 32,-0.2 -0.920 9.7 175.6-112.2 130.2 4.8 18.3 -28.1 50 50 A V - 0 0 0 30,-2.1 32,-0.4 -2,-0.5 75,-0.4 -0.945 38.4-127.7-134.4 150.5 7.0 15.5 -29.4 51 51 A P S S- 0 0 3 0, 0.0 31,-0.7 0, 0.0 74,-0.4 0.929 91.6 -27.4 -57.3 -48.0 7.5 11.7 -28.8 52 52 A S > - 0 0 0 29,-0.1 3,-1.3 30,-0.1 6,-0.3 -0.783 43.2-140.0-173.5 127.1 11.3 12.1 -28.1 53 53 A I T 3 S+ 0 0 3 1,-0.3 28,-0.0 -2,-0.2 -1,-0.0 0.404 97.9 80.1 -69.8 3.5 13.9 14.6 -29.2 54 54 A D T 3 S+ 0 0 33 4,-0.0 2,-0.3 5,-0.0 -1,-0.3 0.222 87.2 70.7 -92.7 12.8 16.2 11.6 -29.5 55 55 A T S <> S- 0 0 45 -3,-1.3 4,-2.1 1,-0.1 5,-0.2 -0.953 91.3-110.3-129.5 149.5 14.5 10.9 -32.9 56 56 A G H > S+ 0 0 56 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.850 109.4 40.9 -43.4 -61.9 14.8 12.7 -36.2 57 57 A I H > S+ 0 0 53 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.925 117.1 50.4 -61.4 -41.7 11.4 14.3 -36.8 58 58 A C H > S+ 0 0 0 -6,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.845 110.2 49.8 -65.5 -33.8 11.1 15.3 -33.1 59 59 A S H X S+ 0 0 22 -4,-2.1 4,-2.4 -7,-0.2 -1,-0.2 0.908 112.1 47.2 -70.4 -42.4 14.6 16.9 -33.1 60 60 A T H X S+ 0 0 80 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.879 109.3 54.6 -65.4 -41.0 13.9 19.0 -36.3 61 61 A Q H X S+ 0 0 1 -4,-2.2 4,-2.5 -5,-0.2 5,-0.2 0.960 112.8 41.8 -57.1 -53.4 10.5 20.1 -35.0 62 62 A T H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.908 118.0 45.8 -61.7 -46.5 12.1 21.5 -31.8 63 63 A R H X S+ 0 0 85 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.982 115.9 44.8 -60.2 -60.7 15.1 23.0 -33.5 64 64 A R H X S+ 0 0 76 -4,-2.8 4,-3.0 1,-0.2 -2,-0.2 0.868 113.0 50.1 -54.5 -44.9 13.1 24.6 -36.3 65 65 A F H X S+ 0 0 0 -4,-2.5 4,-0.7 -5,-0.3 -1,-0.2 0.908 111.1 48.5 -63.5 -43.6 10.4 26.0 -34.1 66 66 A N H < S+ 0 0 24 -4,-1.9 4,-0.3 -5,-0.2 3,-0.3 0.895 118.2 41.7 -63.3 -40.5 12.8 27.6 -31.7 67 67 A E H >X S+ 0 0 94 -4,-2.4 3,-1.6 1,-0.2 4,-0.5 0.984 114.4 47.7 -71.2 -57.0 14.7 29.2 -34.5 68 68 A E H 3< S+ 0 0 85 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.483 121.2 37.8 -65.8 -2.3 11.8 30.3 -36.7 69 69 A L T >< S+ 0 0 6 -4,-0.7 3,-1.5 -3,-0.3 -1,-0.3 0.297 86.5 96.6-127.9 5.4 10.1 31.9 -33.8 70 70 A A T <4 S+ 0 0 76 -3,-1.6 -2,-0.1 -4,-0.3 -3,-0.1 0.866 80.5 58.8 -64.0 -34.8 13.1 33.3 -31.9 71 71 A G T 3< S+ 0 0 77 -4,-0.5 2,-0.7 2,-0.1 -1,-0.3 0.223 84.2 105.7 -80.2 18.3 12.5 36.7 -33.5 72 72 A L X - 0 0 37 -3,-1.5 3,-1.0 3,-0.1 -3,-0.0 -0.868 62.1-145.7-106.9 112.4 9.0 36.9 -32.0 73 73 A D T 3 S+ 0 0 127 -2,-0.7 3,-0.1 1,-0.2 -29,-0.1 -0.331 80.6 16.4 -72.3 152.9 8.5 39.2 -29.1 74 74 A N T 3 S+ 0 0 94 1,-0.2 -30,-3.8 -31,-0.1 2,-0.4 0.562 107.5 106.3 63.4 7.6 6.1 38.5 -26.2 75 75 A T E < -f 44 0C 23 -3,-1.0 2,-0.4 -32,-0.2 -30,-0.2 -0.964 50.1-167.5-124.1 134.7 6.1 34.8 -27.4 76 76 A V E -f 45 0C 31 -32,-3.2 -30,-2.4 -2,-0.4 2,-0.7 -0.923 15.8-137.0-122.9 145.1 7.8 31.8 -25.9 77 77 A V E -f 46 0C 11 -2,-0.4 24,-0.6 -32,-0.2 2,-0.5 -0.852 19.4-171.1-106.6 106.5 8.4 28.3 -27.3 78 78 A L E -fh 47 101C 1 -32,-1.3 -30,-3.2 -2,-0.7 2,-0.5 -0.807 3.9-163.9 -97.2 125.9 7.8 25.4 -24.9 79 79 A T E -fh 48 102C 0 22,-2.1 24,-2.9 -2,-0.5 2,-0.5 -0.926 7.2-171.8-109.2 130.1 8.8 21.9 -25.9 80 80 A V E +fh 49 103C 0 -32,-2.5 -30,-2.1 -2,-0.5 2,-0.3 -0.988 18.0 143.5-126.2 127.3 7.3 19.0 -24.0 81 81 A S E - h 0 104C 0 22,-2.0 24,-1.8 -2,-0.5 25,-0.2 -0.873 56.6-109.6-147.4-179.4 8.4 15.4 -24.3 82 82 A X S S+ 0 0 3 -31,-0.7 -30,-0.1 -32,-0.4 22,-0.1 0.469 76.1 119.1 -95.8 -4.8 8.9 12.3 -22.3 83 83 A D S S- 0 0 0 20,-0.2 23,-0.3 1,-0.1 -2,-0.2 -0.224 75.7-101.8 -57.9 150.6 12.7 12.4 -22.6 84 84 A L >> - 0 0 3 1,-0.1 4,-1.9 20,-0.1 3,-1.4 -0.411 31.9-108.2 -73.3 156.0 14.5 12.8 -19.3 85 85 A P H 3> S+ 0 0 1 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.865 122.4 58.4 -49.4 -36.4 15.7 16.3 -18.4 86 86 A F H 3> S+ 0 0 34 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.821 104.1 50.2 -64.9 -33.4 19.2 14.9 -19.0 87 87 A A H <> S+ 0 0 0 -3,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.902 111.7 46.9 -71.8 -42.7 18.3 13.9 -22.6 88 88 A Q H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.877 111.6 52.6 -67.2 -35.3 16.8 17.4 -23.4 89 89 A K H X S+ 0 0 130 -4,-2.3 4,-2.3 -5,-0.3 -2,-0.2 0.951 108.6 48.7 -65.0 -49.1 19.9 19.0 -21.8 90 90 A R H X S+ 0 0 65 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.921 111.0 53.5 -55.3 -43.6 22.3 16.9 -24.0 91 91 A W H X S+ 0 0 8 -4,-2.2 4,-3.0 2,-0.2 5,-0.3 0.963 106.0 49.9 -55.1 -59.7 20.1 17.9 -27.0 92 92 A C H X>S+ 0 0 3 -4,-2.5 5,-2.4 1,-0.2 4,-1.0 0.924 112.5 49.3 -45.9 -52.1 20.3 21.7 -26.3 93 93 A G H ><5S+ 0 0 41 -4,-2.3 3,-0.7 1,-0.2 -1,-0.2 0.917 112.1 46.4 -56.2 -47.9 24.1 21.4 -26.0 94 94 A A H 3<5S+ 0 0 82 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.893 118.2 43.1 -62.6 -39.7 24.5 19.4 -29.2 95 95 A E H 3<5S- 0 0 60 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.471 109.5-121.1 -84.3 -5.1 22.2 21.8 -31.1 96 96 A G T <<5S+ 0 0 54 -4,-1.0 -3,-0.2 -3,-0.7 3,-0.2 0.804 80.4 119.4 68.3 26.6 23.7 25.0 -29.6 97 97 A L > < + 0 0 26 -5,-2.4 3,-2.0 -6,-0.2 -4,-0.2 -0.383 22.3 151.5-118.2 51.1 20.3 25.9 -28.2 98 98 A D T 3 S+ 0 0 105 -6,-0.3 -1,-0.1 1,-0.3 -5,-0.1 0.737 73.6 51.7 -56.3 -24.3 21.2 25.9 -24.5 99 99 A N T 3 S+ 0 0 159 -3,-0.2 -1,-0.3 -7,-0.1 -2,-0.1 0.570 78.9 120.2 -89.9 -11.6 18.5 28.4 -23.8 100 100 A A S < S- 0 0 12 -3,-2.0 2,-1.0 1,-0.1 -22,-0.1 -0.255 72.3-115.4 -54.2 141.8 15.7 26.6 -25.5 101 101 A I E - h 0 78C 40 -24,-0.6 -22,-2.1 -72,-0.1 2,-0.5 -0.713 39.3-178.6 -87.4 103.3 12.9 25.8 -23.1 102 102 A X E - h 0 79C 1 -2,-1.0 -72,-0.4 -24,-0.2 2,-0.4 -0.871 5.2-170.4-106.1 131.2 12.7 22.1 -22.7 103 103 A L E - h 0 80C 0 -24,-2.9 -22,-2.0 -2,-0.5 2,-0.4 -0.965 5.9-156.0-123.5 137.7 10.1 20.4 -20.4 104 104 A S E -Eh 28 81C 1 -76,-1.8 -76,-1.4 -2,-0.4 -22,-0.2 -0.909 13.8-170.0-114.9 140.6 9.8 16.8 -19.4 105 105 A D > + 0 0 3 -24,-1.8 4,-1.7 -2,-0.4 3,-0.2 0.035 56.1 113.3-112.5 22.3 6.7 14.9 -18.2 106 106 A Y T 4 + 0 0 6 -23,-0.3 -1,-0.1 -25,-0.2 -22,-0.1 0.839 67.0 62.2 -64.0 -37.1 8.6 11.8 -17.1 107 107 A F T 4 S- 0 0 59 -3,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.899 129.7 -5.6 -56.8 -46.8 7.8 12.3 -13.4 108 108 A D T 4 - 0 0 89 -3,-0.2 -2,-0.2 0, 0.0 -1,-0.1 0.694 68.7-134.6-122.4 -33.3 4.0 11.9 -13.7 109 109 A H X + 0 0 12 -4,-1.7 4,-2.6 3,-0.0 5,-0.2 0.587 68.6 132.6 75.1 9.8 2.9 11.7 -17.3 110 110 A S H > + 0 0 29 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.869 64.0 50.4 -61.6 -40.3 0.4 14.2 -15.8 111 111 A F H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.967 113.4 46.4 -62.0 -52.2 0.8 16.7 -18.7 112 112 A G H >>S+ 0 0 0 1,-0.2 5,-3.1 2,-0.2 6,-1.6 0.884 116.3 45.2 -57.1 -40.9 0.2 13.8 -21.1 113 113 A R H <5S+ 0 0 127 -4,-2.6 3,-0.3 3,-0.2 -2,-0.2 0.915 113.4 47.8 -70.2 -44.8 -2.8 12.6 -19.1 114 114 A D H <5S+ 0 0 85 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.898 120.2 38.6 -62.8 -42.7 -4.4 16.0 -18.6 115 115 A Y H <5S- 0 0 0 -4,-2.7 -99,-0.3 -5,-0.2 -1,-0.2 0.506 107.8-124.8 -86.4 -5.5 -4.0 16.9 -22.2 116 116 A A T <5S+ 0 0 3 -4,-0.5 -3,-0.2 -3,-0.3 -4,-0.1 0.943 77.7 121.2 60.8 44.3 -4.9 13.4 -23.4 117 117 A L < + 0 0 0 -5,-3.1 9,-2.3 -6,-0.2 2,-0.7 0.398 35.0 108.7-114.1 -5.8 -1.6 13.3 -25.4 118 118 A L B S-J 125 0D 4 -6,-1.6 2,-0.4 7,-0.2 -106,-0.3 -0.657 72.3-132.7 -77.3 112.4 -0.3 10.3 -23.6 119 119 A I >> - 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